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102689-19-0 | 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(1,2,5-trimethyl-4-piperidinyl)-
CAS No: 102689-19-0 Catalog No: AG00084R MDL No:
Product Description
Catalog Number:
AG00084R
Chemical Name:
3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(1,2,5-trimethyl-4-piperidinyl)-
CAS Number:
102689-19-0
Molecular Formula:
C17H23N3O
Molecular Weight:
285.3840
IUPAC Name:
5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one
InChI:
InChI=1S/C17H23N3O/c1-12-11-19(3)13(2)9-16(12)20-17(21)10-15(18-20)14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3
InChI Key:
JREBIAFWXAAHMJ-UHFFFAOYSA-N
SMILES:
CC1CN(C)C(CC1N1N=C(CC1=O)c1ccccc1)C
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.184g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.391g/mol
Monoisotopic Mass:
285.184g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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